Summary

IMPPAT Phytochemical identifier: IMPHY017516

Phytochemical name: 1-Cyclohexen-1-ol, 2,6-dimethyl-, acetate

Synonymous chemical names:
1-cyclohexen-1-ol, 2,6-dimethyl-,acetate

External chemical identifiers:
CID:580935

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Chemical structure information

SMILES:
CC(=O)OC1=C(C)CCCC1C

InChI:
InChI=1S/C10H16O2/c1-7-5-4-6-8(2)10(7)12-9(3)11/h7H,4-6H2,1-3H3

InChIKey:
KYCWEGRYYVNZLT-UHFFFAOYSA-N

DeepSMILES:
CC=O)OC=CC)CCCC6C

Functional groups:
CC(=O)OC(C)=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP-Likeness score: 1.24

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Chemical structure download